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Substance Name: Hexyl hexanoate
RN: 6378-65-0
UNII: GI6FE1QMW6
InChIKey: NCDCLPBOMHPFCV-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C12-H24-O2

Molecular Weight

  • 200.32
 
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Names and Synonyms

Name of Substance

  • Hexyl hexanoate

Synonyms

  • 4-02-00-00922 (Beilstein Handbook Reference)
  • AI3-06035
  • BRN 1762037
  • EINECS 228-952-4
  • FEMA No. 2572
  • Hexanoic acid, hexyl ester
  • Hexyl caproate
  • Hexyl hexanoate
  • Hexyl hexanoate (natural)
  • Hexyl hexoate
  • n-Hexyl hexanoate
  • NSC 53799
  • UNII-GI6FE1QMW6

Systematic Names

  • Hexanoic acid, hexyl ester
  • Hexyl hexanoate

Superlist Name

  • Hexyl hexanoate

Registry Numbers

CAS Registry Number

  • 6378-65-0

FDA UNII

  • GI6FE1QMW6

System Generated Number

  • 0006378650

Structure Descriptors

InChI

InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3

InChIKey

NCDCLPBOMHPFCV-UHFFFAOYSA-N

Smiles

CCCCCCOC(=O)CCCCC

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -5.50E+01 deg C   EXP
Boiling Point 246 deg C   EXP
log P (octanol-water) 4.790 (none)   EST
Atmospheric OH Rate Constant 1.19E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.